Journal article

Theoretical Approaches To Estimating Homolytic Bond Dissociation Energies of Organocopper and Organosilver Compounds

Nicole J Rijs, Nigel J Brookes, Richard AJ O'Hair, Brian F Yates

Journal of Physical Chemistry A | AMER CHEMICAL SOC | Published : 2012

University of Melbourne Researchers


Awarded by ARC

Funding Acknowledgements

We thank the following: Prof. Peter Armentrout for useful discussions regarding the experimentally determined BDEs of Cu-CH<INF>3</INF> and Ag-CH<INF>3</INF>; the ARC for financial support via grant DP110103844 (to R.A.J.O.) and via the ARC CoE program; the Faculty of Science for a Science Faculty Scholarship (to N.J.R.) and an Albert Shimmins Postgraduate Writing-Up Award (to N.J.R.); and the University of Tasmania for computing resources. VICS is acknowledged for the Chemical Sciences High Performance Computing Facility used in this work.